2H-1-Benzopyran-2-one,4-methyl-7-(b-D-xylopyranosyloxy)- (6734-33-4)

The cas register number of 4-Methylumbelliferyl beta-D-xylopyranoside is 6734-33-4. It also can be called as 4-Methyl-7-(beta-D-xylopyranosyloxy)-2H-1-benzopyran-2-one and the IUPAC Name about this chemical is 4-methyl-7-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxychromen-2-one. It belongs to the Substrates. This chemical is hygroscopic and it is sensitive to humidity, so when you using it, please keep it under argon and not breathe dust, you also need avoid contact with skin and eyes.

Physical properties about 4-Methylumbelliferyl beta-D-xylopyranoside are: (1)ACD/LogP: 1.02; (2)ACD/LogD (pH 5.5): 1.02; (3)ACD/LogD (pH 7.4): 1.02; (4)ACD/BCF (pH 5.5): 3.49; (5)ACD/BCF (pH 7.4): 3.49; (6)ACD/KOC (pH 5.5): 85.1; (7)CD/KOC (pH 7.4): 85.1; (8)#H bond acceptors: 7; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 72.45Ų; (12)Index of Refraction: 1.646; (13)Molar Refractivity: 73.94 cm³; (14)Molar Volume: 203.5 cm³; (15)Polarizability: 29.31x10^-24cm³; (16)Surface Tension: 72.7 dyne/cm; (17)Enthalpy of Vaporization: 90.23 kJ/mol; (18)Vapour Pressure: 6.29E-14 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)OC3C(C(C(CO3)O)O)O
(2)Isomeric SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)O[C@H]3[C@@H]([C@H]([C@@H](CO3)O)O)O
(3)InChI: InChI=1S/C15H16O7/c1-7-4-12(17)22-11-5-8(2-3-9(7)11)21-15-14(19)13(18)10(16)6-20-15/h2-5,10,13-16,18-19H,6H2,1H3/t10-,13+,14-,15+/m1/s1
(4)InChIKey: JWIYLOHVJDJZOQ-KAOXEZKKSA-N